N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

C128H132Cl5F11N30O — CID 159831421

About N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (PubChem CID 159831421) has the molecular formula C128H132Cl5F11N30O and a molecular weight of 2492.92 g/mol. Its IUPAC name is N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
• PubChem CID: 159831421
• Molecular Formula: C128H132Cl5F11N30O
• Molecular Weight: 2492.92 g/mol
• Exact Mass: 2488.95
• IUPAC Name: N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
• SMILES: CC(C)c1cc(Nc2cnc3c(n2)N(Cc2c(F)ccc(F)c2Cl)CCC3)n[nH]1.CN(C)CCn1cc(-c2cnc3c(c2)N(C(=O)Cc2cc(F)cc(F)c2)CCC3)cn1.Cc1c(-c2cnn(C3CCNCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2.Clc1ncccc1CN1CCCc2ncc(-c3cc[nH]c3)nc21.Cn1ccc(-c2cnc3c(n2)N(Cc2cc(C(F)(F)F)ccc2Cl)CCCC3)c1.Fc1ccc(F)c(CN2CCCc3ncc(-c4cnn(CCNC5CC5)c4)cc32)c1Cl
• InChI: InChI=1S/C24H26ClF2N5.C23H24ClF2N5.C23H25F2N5O.C21H20ClF3N4.C20H21ClF2N6.C17H16ClN5/c1-15-18(16-11-30-32(13-16)17-6-8-28-9-7-17)12-29-22-3-2-10-31(24(15)22)14-19-20(26)4-5-21(27)23(19)25;24-23-18(19(25)5-6-20(23)26)14-30-8-1-2-21-22(30)10-15(11-28-21)16-12-29-31(13-16)9-7-27-17-3-4-17;1-28(2)6-7-29-15-18(14-27-29)17-11-22-21(26-13-17)4-3-5-30(22)23(31)10-16-8-19(24)12-20(25)9-16;1-28-9-7-14(12-28)19-11-26-18-4-2-3-8-29(20(18)27-19)13-15-10-16(21(23,24)25)5-6-17(15)22;1-11(2)16-8-17(28-27-16)25-18-9-24-15-4-3-7-29(20(15)26-18)10-12-13(22)5-6-14(23)19(12)21;18-16-13(3-1-6-20-16)11-23-8-2-4-14-17(23)22-15(10-21-14)12-5-7-19-9-12/h4-5,11-13,17,28H,2-3,6-10,14H2,1H3;5-6,10-13,17,27H,1-4,7-9,14H2;8-9,11-15H,3-7,10H2,1-2H3;5-7,9-12H,2-4,8,13H2,1H3;5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,25,26,27,28);1,3,5-7,9-10,19H,2,4,8,11H2
• InChIKey: NNMWNBZMMVGLKU-UHFFFAOYSA-N
• XLogP: 26.87
• TPSA: 307.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.92
LogP ≤ 5	26.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?

The IUPAC name of N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (CID 159831421) is N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.

What is the SMILES notation for N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?

The canonical SMILES for N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is CC(C)c1cc(Nc2cnc3c(n2)N(Cc2c(F)ccc(F)c2Cl)CCC3)n[nH]1.CN(C)CCn1cc(-c2cnc3c(c2)N(C(=O)Cc2cc(F)cc(F)c2)CCC3)cn1.Cc1c(-c2cnn(C3CCNCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2.Clc1ncccc1CN1CCCc2ncc(-c3cc[nH]c3)nc21.Cn1ccc(-c2cnc3c(n2)N(Cc2cc(C(F)(F)F)ccc2Cl)CCCC3)c1.Fc1ccc(F)c(CN2CCCc3ncc(-c4cnn(CCNC5CC5)c4)cc32)c1Cl.

What is the InChIKey of N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?

The InChIKey is NNMWNBZMMVGLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N5.C23H24ClF2N5.C23H25F2N5O.C21H20ClF3N4.C20H21ClF2N6.C17H16ClN5/c1-15-18(16-11-30-32(13-16)17-6-8-28-9-7-17)12-29-22-3-2-10-31(24(15)22)14-19-20(26)4-5-21(27)23(19)25;24-23-18(19(25)5-6-20(23)26)14-30-8-1-2-21-22(30)10-15(11-28-21)16-12-29-31(13-16)9-7-27-17-3-4-17;1-28(2)6-7-29-15-18(14-27-29)17-11-22-21(26-13-17)4-3-5-30(22)23(31)10-16-8-19(24)12-20(25)9-16;1-28-9-7-14(12-28)19-11-26-18-4-2-3-8-29(20(18)27-19)13-15-10-16(21(23,24)25)5-6-17(15)22;1-11(2)16-8-17(28-27-16)25-18-9-24-15-4-3-7-29(20(15)26-18)10-12-13(22)5-6-14(23)19(12)21;18-16-13(3-1-6-20-16)11-23-8-2-4-14-17(23)22-15(10-21-14)12-5-7-19-9-12/h4-5,11-13,17,28H,2-3,6-10,14H2,1H3;5-6,10-13,17,27H,1-4,7-9,14H2;8-9,11-15H,3-7,10H2,1-2H3;5-7,9-12H,2-4,8,13H2,1H3;5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,25,26,27,28);1,3,5-7,9-10,19H,2,4,8,11H2.

What are the key properties of N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?

N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone has a molecular weight of 2492.92 g/mol, XLogP of 26.87, 28 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]cyclopropanamine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine;5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[(2-chloro-3-pyridinyl)methyl]-3-(1H-pyrrol-3-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(1-methylpyrrol-3-yl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine;2-(3,5-difluorophenyl)-1-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is sourced from PubChem (CID 159831421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).